CID 2760886

675602-85-4

Structural Information

Molecular Formula
C25H22N2O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4CCC(=O)O
InChI
InChI=1S/C25H22N2O2/c28-24(29)17-16-23-26-18-19-27(23)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,28,29)
InChIKey
RVUHFAQCWRGTJH-UHFFFAOYSA-N
Compound name
3-(1-tritylimidazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

382.16812 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17540 194.6
[M+Na]+ 405.15734 209.7
[M+NH4]+ 400.20194 201.6
[M+K]+ 421.13128 203.0
[M-H]- 381.16084 200.9
[M+Na-2H]- 403.14279 206.6
[M]+ 382.16757 198.7
[M]- 382.16867 198.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe